1-chloro-1-ethoxypentane

C7H15ClO — CID 19848155

IUPAC1-chloro-1-ethoxypentane
SMILESCCCCC(Cl)OCC
InChIInChI=1S/C7H15ClO/c1-3-5-6-7(8)9-4-2/h7H,3-6H2,1-2H3
InChIKeyWUSLICFHOXZMQQ-UHFFFAOYSA-N
MW150.65 g/mol
LogP2.78
Rot. Bonds5

About 1-chloro-1-ethoxypentane

1-chloro-1-ethoxypentane (PubChem CID 19848155) has the molecular formula C7H15ClO and a molecular weight of 150.65 g/mol. Its IUPAC name is 1-chloro-1-ethoxypentane.

Molecular Properties

Compound Name1-chloro-1-ethoxypentane
PubChem CID19848155
Molecular FormulaC7H15ClO
Molecular Weight150.65 g/mol
Exact Mass150.08
IUPAC Name1-chloro-1-ethoxypentane
SMILESCCCCC(Cl)OCC
InChIInChI=1S/C7H15ClO/c1-3-5-6-7(8)9-4-2/h7H,3-6H2,1-2H3
InChIKeyWUSLICFHOXZMQQ-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-chloro-1-ethoxypentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-1-(2-methoxyethoxy)pentane
CID 175041479
5-ethoxynonane
CID 91187482
1-chloro-1-phosphorosooxypentane
CID 174343094
(3S)-3-ethoxy-2-methylheptane
CID 3086090
1-chloropentyl sulfite
CID 174423721
1,1-dichloropentane;gallane
CID 174452216
3-O-(1-chloropentyl) 1-O-ethyl propanedioate
CID 174303484
dichloromethoxyethane
CID 12643245
4-ethoxyoctan-1-ol
CID 21254369
2-ethoxy-1-(2-ethoxyhexylditellanyl)hexane
CID 134824114
1-chloro-1,3-diethoxybutane
CID 15602163
9-ethoxyoctadecane
CID 87148376

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-ethoxypentane?
The IUPAC name of 1-chloro-1-ethoxypentane (CID 19848155) is 1-chloro-1-ethoxypentane.
What is the SMILES notation for 1-chloro-1-ethoxypentane?
The canonical SMILES for 1-chloro-1-ethoxypentane is CCCCC(Cl)OCC.
What is the InChIKey of 1-chloro-1-ethoxypentane?
The InChIKey is WUSLICFHOXZMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO/c1-3-5-6-7(8)9-4-2/h7H,3-6H2,1-2H3.
What are the key properties of 1-chloro-1-ethoxypentane?
1-chloro-1-ethoxypentane has a molecular weight of 150.65 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-ethoxypentane is sourced from PubChem (CID 19848155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).